Vitas-M small molecule compound
(5Z)-5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-4-methyl-1-(3-methylbutyl)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK991719
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCCO3)/C(=O)N(C1=O)CCC(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-13(2)6-7-24-20(25)16(11-22)14(3)17(21(24)26)12-23-15-4-5-18-19(10-15)28-9-8-27-18/h4-5,10,12-13,23H,6-9H2,1-3H3/b17-12-InChIKey
LEQYQADJROCPPJ-ATVHPVEESA-NSynonyms
(5Z)5((23dihydro14benzodioxin6ylamino)methylidene)4methyl1(3methylbutyl)26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((23dihydro14benzodioxin6ylamino)methylidene)4methyl1(3methylbutyl)26dioxopyridine3carbonitrile
(Z)5(((23dihydrobenzo(b)(14)dioxin6yl)amino)methylene)1isopentyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)OCCO3)CCC(C)C)C#N
InChI=1SC21H23N3O4c113(2)672420(25)16(1122)14(3)17(21(24)26)122315451819(1015)28982718h4510121323H69H213H3b1712
MFCD08750967
N#CC1=C(C)C(=CNc2ccc3c(c2)OCCO3)C(=O)N(C1=O)CCC(C)C
ZINC000009420079
ZINC09420079
ZINC9420079
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